3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

Formula: C23H18FN5O3S

SMILES: COC1=CC=C(C=C1OC)C1=C2C(N)=C(SC2=NC(N)=C1C#N)C(=O)NC1=CC=C(F)C=C1

IUPAC: 3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

InChI: InChI=1S/C23H18FN5O3S/c1-31-15-8-3-11(9-16(15)32-2)17-14(10-25)21(27)29-23-18(17)19(26)20(33-23)22(30)28-13-6-4-12(24)5-7-13/h3-9H,26H2,1-2H3,(H2,27,29)(H,28,30)

Composition: C (59.60%), H (3.91%), F (4.10%), N (15.11%), O (10.36%), S (6.92%)

Molar Mass: 463.49

Atom Count: 51

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	463.111438797
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	WGUNQKKURQHRGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	126.23
Topological Polar Surface Area	136.28
Polarizability	47.32
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H18FN5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00